V11CoB8
Alexandria ALEXAlex-ID: agm008301037 · 空间群: P2/m (#10)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB8C11_4_spg10
V3B2 VCo3 VB
2024-11-09 12:03:06.188097
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm008301037).
Th. Cavignac, J. Schmidt, P.-P. De Breuck, A. Loew, T. F. T. Cerqueira, H.-C. Wang, A. Bochkarev, Y. Lysogorskiy, A. H. Romero, R. Drautz, S. Botti and M. A. L. Marques. AI-Driven expansion and application of the Alexandria database. J. Phys. Mater. 9, 025014 (2026). https://doi.org/10.1088/2515-7639/ae6620
@article{Cavignac2026Alexandria,
author = {Cavignac, Th{\'e}o and Schmidt, Jonathan and De Breuck, Pierre-Paul and Loew, Antoine
and Cerqueira, Tiago F. T. and Wang, Hai-Chen and Bochkarev, Anton
and Lysogorskiy, Yury and Romero, Aldo H. and Drautz, Ralf and Botti, Silvana
and Marques, Miguel A. L.},
title = {{AI}-Driven expansion and application of the {A}lexandria database},
journal = {Journal of Physics: Materials},
year = {2026},
volume = {9},
number = {2},
pages = {025014},
doi = {10.1088/2515-7639/ae6620},
url = {https://doi.org/10.1088/2515-7639/ae6620}
}
晶体结构 3D 渲染
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# CIF generated by HEAS from Alexandria entry agm008301037
data_agm008301037
_cell_length_a 3.02477
_cell_length_b 5.68655
_cell_length_c 11.35184
_cell_angle_alpha 89.93729
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 195.25745
_symmetry_space_group_name_H-M 'P 1'
_symmetry_Int_Tables_number 1
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
V1 V 0.50000 0.17738 0.08771 1.00000
V2 V 0.50000 0.17781 0.58960 1.00000
V3 V 0.50000 0.82262 0.91229 1.00000
V4 V 0.50000 0.82219 0.41040 1.00000
V5 V 0.50000 0.32152 0.84030 1.00000
V6 V 0.50000 0.32253 0.33769 1.00000
V7 V 0.50000 0.67848 0.15970 1.00000
V8 V 0.50000 0.67747 0.66231 1.00000
V9 V 0.00000 0.50000 0.50000 1.00000
V10 V 0.00000 0.99960 0.75153 1.00000
V11 V 0.00000 0.00040 0.24847 1.00000
Co1 Co 0.00000 0.50000 0.00000 1.00000
B1 B 0.00000 0.60962 0.80875 1.00000
B2 B 0.00000 0.61149 0.30327 1.00000
B3 B 0.00000 0.39038 0.19125 1.00000
B4 B 0.00000 0.38851 0.69673 1.00000
B5 B 0.00000 0.88878 0.05527 1.00000
B6 B 0.00000 0.88870 0.55565 1.00000
B7 B 0.00000 0.11122 0.94473 1.00000
B8 B 0.00000 0.11130 0.44435 1.00000
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